Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OCCOCCOC2CNC2)CCOc2ccc(Cl)cc21 |
MW: | 497.17 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 90.94 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
poly ethers
Long aliphatic chain
Unbranched chain
PET-UNK-3bb57da2-4
0.804
ED_-GRI-5b13fbe2-29
0.804
PET-UNK-e5587e5d-1
0.802
PET-UNK-3bb57da2-3
0.788
ED_-GRI-5b13fbe2-15
0.769
ED_-GRI-5b13fbe2-8
0.764
PET-UNK-0cc03aae-1
0.757
ED_-GRI-5b13fbe2-19
0.757
PET-UNK-824b5c6a-2
0.752
ED_-GRI-5b13fbe2-51
0.743
ED_-GRI-5b13fbe2-72
0.743
EDG-MED-4c68219f-10
0.743
RAL-THA-58fba2bc-4
0.743
ED_-GRI-5b13fbe2-65
0.741
PET-UNK-4880b143-1
0.740
EDG-MED-4c68219f-16
0.738
MIC-UNK-ddc6ad53-2
0.733
MIC-UNK-ddc6ad53-3
0.731
PET-UNK-5d7c542f-3
0.726
PET-UNK-49566573-1
0.724
PET-UNK-824b5c6a-1
0.723
PET-UNK-0cc03aae-3
0.720
PET-UNK-0cc03aae-2
0.720
PET-UNK-5d7c542f-4
0.714
PET-UNK-0cc03aae-5
0.714
PET-UNK-3bb57da2-1
0.712
ED_-GRI-5b13fbe2-30
0.708
PET-UNK-0cc03aae-4
0.706
ED_-GRI-5b13fbe2-25
0.706
ED_-GRI-5b13fbe2-75
0.706
ED_-GRI-5b13fbe2-33
0.704
ED_-GRI-5b13fbe2-48
0.704
PET-UNK-3bb57da2-2
0.698
MIC-UNK-5d22d78d-1
0.695
EDG-MED-4c68219f-12
0.692
RAL-THA-58fba2bc-2
0.692
MIC-UNK-ddc6ad53-1
0.692
EDG-MED-4c68219f-6
0.692
MIC-UNK-5d22d78d-2
0.692
CHO-MSK-5891c1ff-12
0.691
EDJ-MED-28ec730d-5
0.691
ED_-GRI-5b13fbe2-68
0.689
ED_-GRI-5b13fbe2-59
0.688
CHO-MSK-5891c1ff-3
0.685
ED_-GRI-5b13fbe2-12
0.684
PET-UNK-acd70dee-1
0.682
PET-UNK-acd70dee-5
0.682
PET-UNK-83d689b6-3
0.682
PET-UNK-49566573-2
0.682
ED_-GRI-5b13fbe2-22
0.681
ED_-GRI-5b13fbe2-20
0.681
ED_-GRI-5b13fbe2-21
0.681
MIC-UNK-5d22d78d-3
0.676
PET-UNK-d9de6a0b-1
0.676
ED_-GRI-5b13fbe2-69
0.676
ED_-GRI-5b13fbe2-70
0.676
ED_-GRI-5b13fbe2-71
0.676
ED_-GRI-5b13fbe2-39
0.676
PET-UNK-5d7c542f-5
0.676
ED_-GRI-5b13fbe2-40
0.673
ED_-GRI-5b13fbe2-41
0.673
ED_-GRI-5b13fbe2-53
0.673
EDJ-MED-28ec730d-4
0.673
EDG-MED-4c68219f-15
0.673
PET-UNK-acd70dee-2
0.673
MIC-UNK-5d22d78d-4
0.670
ED_-GRI-5b13fbe2-13
0.670
PET-UNK-83d689b6-4
0.670
PET-UNK-29afea89-2
0.667
EDG-MED-0e5afe9d-3
0.667
EDJ-MED-d08626de-1
0.667
EDJ-MED-d08626de-2
0.667
ED_-GRI-5b13fbe2-56
0.667
ED_-GRI-5b13fbe2-34
0.664
PET-UNK-acd70dee-4
0.664
PET-UNK-d9de6a0b-2
0.664
PET-UNK-acd70dee-3
0.664
ED_-GRI-5b13fbe2-31
0.661
ED_-GRI-5b13fbe2-57
0.661
ED_-GRI-5b13fbe2-42
0.661
ED_-GRI-5b13fbe2-43
0.661
PET-UNK-83d689b6-1
0.658
PET-UNK-83d689b6-2
0.658
ED_-GRI-5b13fbe2-24
0.655
ED_-GRI-5b13fbe2-32
0.655
ED_-GRI-5b13fbe2-1
0.655
EDG-MED-4c68219f-7
0.655
EDG-MED-4c68219f-8
0.655
EDG-MED-4c68219f-17
0.655
ED_-GRI-5b13fbe2-47
0.655
CHO-MSK-5891c1ff-8
0.652
PET-UNK-824b5c6a-3
0.651
ED_-GRI-5b13fbe2-55
0.650
CHO-MSK-5891c1ff-2
0.649
ED_-GRI-5b13fbe2-11
0.647
EDG-MED-4c68219f-13
0.647
MIC-UNK-d58dbb53-1
0.646
PET-UNK-acd70dee-6
0.646
ED_-GRI-5b13fbe2-14
0.646
ED_-GRI-5b13fbe2-73
0.643